2-(hept-6-en-3-ylamino)-N-propylacetamide

C12H24N2O — CID 115707124

IUPAC2-(hept-6-en-3-ylamino)-N-propylacetamide
SMILESC=CCCC(CC)NCC(=O)NCCC
InChIInChI=1S/C12H24N2O/c1-4-7-8-11(6-3)14-10-12(15)13-9-5-2/h4,11,14H,1,5-10H2,2-3H3,(H,13,15)
InChIKeyHSCAROTZLLZKHM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.85
Rot. Bonds9

About 2-(hept-6-en-3-ylamino)-N-propylacetamide

2-(hept-6-en-3-ylamino)-N-propylacetamide (PubChem CID 115707124) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(hept-6-en-3-ylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(hept-6-en-3-ylamino)-N-propylacetamide
PubChem CID115707124
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(hept-6-en-3-ylamino)-N-propylacetamide
SMILESC=CCCC(CC)NCC(=O)NCCC
InChIInChI=1S/C12H24N2O/c1-4-7-8-11(6-3)14-10-12(15)13-9-5-2/h4,11,14H,1,5-10H2,2-3H3,(H,13,15)
InChIKeyHSCAROTZLLZKHM-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-(hept-6-en-3-ylamino)acetamide
CID 115976246
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide
CID 115707624
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
N-butyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 60671634
N-ethyl-2-(pentan-3-ylamino)acetamide
CID 28566551
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
N-butyl-2-(octan-4-ylamino)acetamide
CID 106024887
N-but-3-enylbutanamide
CID 54459050
N-propylundec-1-en-5-amine
CID 104987530
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505

Frequently Asked Questions

What is the IUPAC name of 2-(hept-6-en-3-ylamino)-N-propylacetamide?
The IUPAC name of 2-(hept-6-en-3-ylamino)-N-propylacetamide (CID 115707124) is 2-(hept-6-en-3-ylamino)-N-propylacetamide.
What is the SMILES notation for 2-(hept-6-en-3-ylamino)-N-propylacetamide?
The canonical SMILES for 2-(hept-6-en-3-ylamino)-N-propylacetamide is C=CCCC(CC)NCC(=O)NCCC.
What is the InChIKey of 2-(hept-6-en-3-ylamino)-N-propylacetamide?
The InChIKey is HSCAROTZLLZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-8-11(6-3)14-10-12(15)13-9-5-2/h4,11,14H,1,5-10H2,2-3H3,(H,13,15).
What are the key properties of 2-(hept-6-en-3-ylamino)-N-propylacetamide?
2-(hept-6-en-3-ylamino)-N-propylacetamide has a molecular weight of 212.34 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hept-6-en-3-ylamino)-N-propylacetamide is sourced from PubChem (CID 115707124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).